Geometry & MOs

Info

ID:	406041
PubChem CID:	135076332
Reduced:	IN3O6C26H30 (1)
Stoich.:	AB3C6D26E30 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	3.0
IP(EA), eV:	-8.56(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanimine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(C(=O)NC2CCCCC2)N(CC=C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])I)OC

DOS

IR

Vibrations